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Diethylmalonic acid, 2-fluorobenzyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-fluorobenzyl tridecyl ester
SpectraBase Compound ID 7OCaEN0kzvz
InChI InChI=1S/C27H43FO4/c1-4-7-8-9-10-11-12-13-14-15-18-21-31-25(29)27(5-2,6-3)26(30)32-22-23-19-16-17-20-24(23)28/h16-17,19-20H,4-15,18,21-22H2,1-3H3
InChIKey RRKZBLZHADBLCK-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C27H43FO4
Exact Mass 450.314538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DNgwXPxP0xZ
Name Diethylmalonic acid, 2-fluorobenzyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.314538024 u
Formula C27H43FO4
InChI InChI=1S/C27H43FO4/c1-4-7-8-9-10-11-12-13-14-15-18-21-31-25(29)27(5-2,6-3)26(30)32-22-23-19-16-17-20-24(23)28/h16-17,19-20H,4-15,18,21-22H2,1-3H3
InChIKey RRKZBLZHADBLCK-UHFFFAOYSA-N
Molecular Weight 450.635 g/mol
SMILES CCC(C(OCCCCCCCCCCCCC)=O)(C(OCC1=C(C=CC=C1)F)=O)CC